2-methyl-3-phenylquinoxaline

• ChemBase ID: 298064
• Molecular Formular: C15H12N2
• Molecular Mass: 220.26918
• Monoisotopic Mass: 220.10004839
• SMILES: Cc1c(nc2ccccc2n1)c1ccccc1
• Canonical SMILES: Cc1nc2ccccc2nc1c1ccccc1
• InChI: InChI=1S/C15H12N2/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10H,1H3
• InChIKey: FPAQDFDMDUFBPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-phenylquinoxaline
• IUPAC Traditional name: 2-methyl-3-phenylquinoxaline
• Synonyms: 2-Methyl-3-phenylquinoxaline; 2-甲基-3-苯基喹喔啉

Database IDs

• CAS Number: 10130-23-1
• MDL Number: MFCD06653553
• PubChem SID: 180683595
• PubChem CID: 346903

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4633512
• LogD (pH = 7.4): 3.463522
• Log P: 3.4635243
• Molar Refractivity: 66.8061 cm^3
• Polarizability: 28.99993 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%